1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid

C16H21NO5 — CID 45427087

IUPAC1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
SMILESCOc1cc(C)ccc1OCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO5/c1-11-3-4-13(14(9-11)21-2)22-10-15(18)17-7-5-12(6-8-17)16(19)20/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyVFIKFSSZDRQBOS-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.71
Rot. Bonds5

About 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 45427087) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID45427087
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
SMILESCOc1cc(C)ccc1OCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO5/c1-11-3-4-13(14(9-11)21-2)22-10-15(18)17-7-5-12(6-8-17)16(19)20/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyVFIKFSSZDRQBOS-UHFFFAOYSA-N
XLogP1.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromo-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 43238325
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 124588581
2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 9156731
2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575488
1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110394274
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975
1-[2-(2-bromo-4-ethylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 54793766
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 32528733

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid (CID 45427087) is 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid is COc1cc(C)ccc1OCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is VFIKFSSZDRQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11-3-4-13(14(9-11)21-2)22-10-15(18)17-7-5-12(6-8-17)16(19)20/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 45427087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).